(4-propan-2-yloxyphenyl)methyl propanoate

C13H18O3 — CID 130434136

IUPAC(4-propan-2-yloxyphenyl)methyl propanoate
SMILESCCC(=O)OCc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-4-13(14)15-9-11-5-7-12(8-6-11)16-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyRVMNTGGABADHIF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.93
Rot. Bonds5

About (4-propan-2-yloxyphenyl)methyl propanoate

(4-propan-2-yloxyphenyl)methyl propanoate (PubChem CID 130434136) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)methyl propanoate.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)methyl propanoate
PubChem CID130434136
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4-propan-2-yloxyphenyl)methyl propanoate
SMILESCCC(=O)OCc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-4-13(14)15-9-11-5-7-12(8-6-11)16-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyRVMNTGGABADHIF-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
benzyl 4-propan-2-yloxybenzoate
CID 70079883
benzyl propanoate;hydrochloride
CID 140986165
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
(4-dimethoxyboranylphenyl)methyl propanoate
CID 100941344
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)methyl propanoate?
The IUPAC name of (4-propan-2-yloxyphenyl)methyl propanoate (CID 130434136) is (4-propan-2-yloxyphenyl)methyl propanoate.
What is the SMILES notation for (4-propan-2-yloxyphenyl)methyl propanoate?
The canonical SMILES for (4-propan-2-yloxyphenyl)methyl propanoate is CCC(=O)OCc1ccc(OC(C)C)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)methyl propanoate?
The InChIKey is RVMNTGGABADHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-13(14)15-9-11-5-7-12(8-6-11)16-10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (4-propan-2-yloxyphenyl)methyl propanoate?
(4-propan-2-yloxyphenyl)methyl propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)methyl propanoate is sourced from PubChem (CID 130434136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).